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[![PyPI](https://img.shields.io/pypi/v/mol2chemfigPy3?color=ff69b4)](https://pypi.org/project/mol2chemfigPy3/)
[![Downloads](https://static.pepy.tech/personalized-badge/mol2chemfigpy3?period=total&units=international_system&left_color=black&right_color=green&left_text=Downloads)](https://pepy.tech/project/mol2chemfigpy3)
![OS](https://img.shields.io/badge/OS-Win%20|%20Linux%20|%20macOS-blue?color=00B16A)
![python](https://img.shields.io/badge/Python-3.8%20|%203.9%20|%203.10-blue.svg?color=dd9b65)

This is NOT an official version of mol2chemfig for python 3.

Expand Down Expand Up @@ -44,7 +46,11 @@ $ mol2chemfig -h
$ mol2chemfig -zw -i direct "C1=CC=C(C=C1)O"
```

it will give you `\chemfig{OH-[:180,,1]=_[:240]-[:180]=_[:120]-[:60]=_(-[:300])}`
it will give you

```latex
\chemfig{OH-[:180,,1]=_[:240]-[:180]=_[:120]-[:60]=_(-[:300])}
```

##### 3.2 writing to an output file

Expand All @@ -57,30 +63,13 @@ it will write result to file `phenol-smi-terse.tex`
##### 3.3 searching PubChem database

```bash
$ mol2chemfig -zw -i pubchem 99
$ mol2chemfig -zw -i pubchem 996
```

it will give you
##### 3.4 reading from a file

```latex
\chemfig{O=[:137.9]P(-[:47.9]O-[:107.9,0.62]H)(-[:137.9]O-[:197.9,0.62]H)%
-[:227.9]O-[:287.9](-[:44.9,0.62]H)-[:233.9](-[:179.9]O-[:119.9,0.62]H)(%
-[:116.9,0.62]H)-[:305.9](-[:251.9]N-[:197.8,0.994]=^[:150]N-[:210](%
-[:150,0.62]H)=^[:270]N-[:330](=^[:30](-[:90])-[:342.1,0.994]N%
=^[:54.1,0.994](-[,0.62]H)-[:126,0.994]\phantom{N})-[:270]N(-[:330,0.62]H)%
-[:210,0.62]H)(-[:314.9,0.62]H)-[:17.9]O-[:89.9](-[:161.9])(-[:332.9,0.62]H%
)-[:35.9](-[:55.9,0.62]H)(-[:135.9,0.62]H)-[:335.9]O-[:35.9]P(-[:305.9]O%
-[:245.9,0.62]H)(=[:125.9]O)-[:35.9]O-[:335.9]P(-[:65.9]O-[:125.9,0.62]H)(%
=[:245.9]O)-[:335.9]O-[:35.9](-[:55.9,0.62]H)(-[:135.9,0.62]H)-[:335.9](%
-[:65.9](-[:65.9,0.62]H)(-[:155.9,0.62]H)-[:335.9,0.62]H)(-[:245.9](%
-[:245.9,0.62]H)(-[:335.9,0.62]H)-[:155.9,0.62]H)-[:335.9](-[:275.9]O%
-[:335.9,0.62]H)(-[:215.9,0.62]H)-[:35.9](=[:95.9]O)-[:335.9]N(%
-[:275.9,0.62]H)-[:35.9](-[:55.9,0.62]H)(-[:135.9,0.62]H)-[:335.9](%
-[:235.9,0.62]H)(-[:315.9,0.62]H)-[:35.9](=[:95.9]O)-[:335.9]N(%
-[:275.9,0.62]H)-[:35.9](-[:55.9,0.62]H)(-[:135.9,0.62]H)-[:335.9](%
-[:235.9,0.62]H)(-[:315.9,0.62]H)-[:35.9]S-[:335.9](=[:275.9]O)-[:35.9](%
-[:95.9,0.62]H)=[:335.9](-[:35.9](-[:35.9,0.62]H)(-[:125.9,0.62]H)%
-[:305.9,0.62]H)-[:275.9](-[:185.9,0.62]H)(-[:275.9,0.62]H)-[:5.9,0.62]H}
```bash
$ mol2chemfig -zw peniciling.mol
```

### Use as a python package (new add in to this python 3 version)
Expand All @@ -101,14 +90,6 @@ mol2chemfig('C1=CC=C(C=C1)O') # transfer InChI/SMILES to chemfig
mol2chemfig('./methanol.smi') # from a file
```

## To future maintainers

The static callgraph of this project is:

![callgraph](https://user-images.githubusercontent.com/39725660/151780413-ceea35ac-4199-4c4d-966b-2be5e6a68633.svg)

[large image](https://user-images.githubusercontent.com/39725660/151780413-ceea35ac-4199-4c4d-966b-2be5e6a68633.svg)

## Document

See official document [mol2chemfig-doc.pdf (uwaterloo.ca)](http://chimpsky.uwaterloo.ca/m2cf_static/mol2chemfig-doc.pdf)
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